DFIRE_Energy.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file   core/scoring/methods/dfire/DFIRE_Energy.hh
/// @author James Thompson


#ifndef INCLUDED_core_scoring_methods_dfire_DFIRE_Energy_HH
#define INCLUDED_core_scoring_methods_dfire_DFIRE_Energy_HH

// Unit Headers
#include <core/scoring/methods/dfire/DFIRE_Energy.fwd.hh>

// Package headers
#include <core/scoring/methods/ContextIndependentLRTwoBodyEnergy.hh>

// Project headers
#include <core/pose/Pose.fwd.hh>

#include <core/scoring/methods/EnergyMethod.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1.hh>



namespace core {
namespace scoring {
namespace methods {
namespace dfire {

class DFIRE_Energy : public ContextIndependentLRTwoBodyEnergy {
public:
  typedef ContextIndependentLRTwoBodyEnergy parent;

public:

  ///
  DFIRE_Energy();

  /// clone
  virtual
  EnergyMethodOP
  clone() const;

  /////////////////////////////////////////////////////////////////////////////
  // scoring
  /////////////////////////////////////////////////////////////////////////////

  methods::LongRangeEnergyType
  long_range_type() const;

  virtual bool defines_intrares_energy( EnergyMap const &  ) const { return false; }

  virtual bool defines_residue_pair_energy(
    pose::Pose const & pose,
    Size res1,
    Size res2
  ) const;

  virtual void setup_for_scoring( pose::Pose & pose, ScoreFunction const & ) const;

  virtual
  void
  eval_intrares_energy(
    conformation::Residue const & rsd,
    pose::Pose const & pose,
    ScoreFunction const & sfxn,
    EnergyMap & emap
  ) const ;

  ///
  virtual void residue_pair_energy(
    conformation::Residue const & rsd1,
    conformation::Residue const & rsd2,
    pose::Pose const & pose,
    ScoreFunction const & sfxn,
    EnergyMap & emap
  ) const;

  virtual
  void
  residue_energy(
    conformation::Residue const & rsd,
    pose::Pose const & pose,
    EnergyMap & emap
  ) const;

  /// @brief DFIRE_Energy is context independent and thus indicates that no
  /// context graphs are necessary.
  virtual
  void indicate_required_context_graphs( utility::vector1< bool > & ) const;


/////////////////////////////////////////////////////////////////////////////
// data
/////////////////////////////////////////////////////////////////////////////

private:
  bool potential_is_loaded_;

  virtual
  core::Size version() const;
};


} // dfire
}
}
}

#endif // INCLUDED_core_scoring_ScoreFunction_HH